4LT0

HEWL co-crystallized with Carboplatin in non-NaCl conditions: crystal 1 processed using the EVAL software package

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	CCD
Collection date	2013-03-22
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	76.745, 76.745, 36.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.190 - 2.100
R-factor	0.22577
Rwork	0.223
R-free	0.28274
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w1y
RMSD bond length	0.017
RMSD bond angle	1.888
Data reduction software	EVAL15
Data scaling software	EVAL15
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.190	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.340	2.710
Number of reflections	6342
<I/σ(I)>	9.2	0.9
Completeness [%]	81.6	99.8
Redundancy	26.1	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	294	2 uL protein/carboplatin/DMSO solution [20 mg (0.6 mM) HEWL + 1.4 mg (1.8 mM) carboplatin in 1 mL distilled water + 75 uL DMSO] + 2 uL reservoir solution [65% MPD, 0.1 M citric acid, pH 4.0] against 1 mL of reservoir solution, crystals grew after ~4 weeks, data collected 1 week after crystal growth, VAPOR DIFFUSION, HANGING DROP, temperature 294K