5HMJ

Re-refinement of 4xan: hen lysozyme with carboplatin in sodium bromide solution

Replaces:  4XANReplaces:  4NSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9163
Spacegroup name	P 43 21 2
Unit cell lengths	78.580, 78.580, 37.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.290 - 1.300
R-factor	0.166638373527
Rwork	0.164
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xan
RMSD bond length	0.010
RMSD bond angle	1.183
Data reduction software	EVAL
Data scaling software	EVAL
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.290	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.095	2.058
Number of reflections	23088
<I/σ(I)>	4.59	0.23
Completeness [%]	79.1	31.05
Redundancy	10.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.7	297	CO-CRYSTALLIZING 20 MG ML HEWL WITH 1.4 MG CARBOPLATIN IN 75 MicroL DMSO, 462.5 MicroL 0.1 M SODIUM ACETATE, 462.5 MicroL 1 M NABR SOLUTION., PH 4.7, BATCH MODE, TEMPERATURE 297K .