4DGA

TRIMCyp cyclophilin domain from Macaca mulatta: HIV-1 CA(O-loop) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0720
Spacegroup name	P 1 21 1
Unit cell lengths	38.590, 111.350, 67.760
Unit cell angles	90.00, 102.39, 90.00

Refinement procedure

Resolution	66.180 - 1.900
R-factor	0.1983
Rwork	0.196
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2WLW AND 1AK4
RMSD bond length	0.008
RMSD bond angle	1.204
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.182	42.605	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.031	0.196
Total number of observations		2459	9048
Number of reflections	41766
<I/σ(I)>	9.2	18.2	3.6
Completeness [%]	95.1	89.2	83.1
Redundancy	1.8	1.9	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	20% w/v PEG5000 MME, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K