3V43

Crystal structure of MOZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-30
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	35.080, 57.630, 76.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.130 - 1.470
R-factor	0.1541
Rwork	0.153
R-free	0.17620
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.386
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.255	38.255	1.550
High resolution limit [Å]	1.467	4.640	1.470
Rmerge		0.035	0.456
Rmeas		0.051	0.493
Rpim		0.014	0.135
Total number of observations		11803	49207
Number of reflections	27192
<I/σ(I)>	24	47.8	5.8
Completeness [%]	99.6	98.1	97.8
Redundancy	13.6	12.3	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.2M ammonium acetate, 0.1M tri-sodium citrate, 30% w/v PEG 4000, pH 5.6, vapor diffusion, hanging drop, temperature 293K