4HZK

Crystal structure of free CRM1 (crystal form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.2395
Spacegroup name	P 31
Unit cell lengths	89.820, 89.820, 316.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.070 - 3.100
R-factor	0.2192
Rwork	0.216
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gjx
RMSD bond length	0.004
RMSD bond angle	0.867
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.200
High resolution limit [Å]	3.100	17.000	3.100
Rmerge	0.042	0.015	0.562
Number of reflections	50204	261	4576
<I/σ(I)>	17.23	73.38	2.18
Completeness [%]	96.9	83.9	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	22% Polyacrylic acid 5,100, 20 mM MgCl2, 100 mM CHES 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K